CID 13961629

6-(methylsulfanyl)hexan-1-amine

Structural Information

Molecular Formula
C7H17NS
SMILES
CSCCCCCCN
InChI
InChI=1S/C7H17NS/c1-9-7-5-3-2-4-6-8/h2-8H2,1H3
InChIKey
HTQYVNNDNPYFCV-UHFFFAOYSA-N
Compound name
6-methylsulfanylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

147.10817 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11545 132.8
[M+Na]+ 170.09739 138.8
[M-H]- 146.10089 132.4
[M+NH4]+ 165.14199 154.3
[M+K]+ 186.07133 136.7
[M+H-H2O]+ 130.10543 127.4
[M+HCOO]- 192.10637 151.0
[M+CH3COO]- 206.12202 178.3
[M+Na-2H]- 168.08284 134.9
[M]+ 147.10762 134.6
[M]- 147.10872 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe